4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-mercaptomethylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(N2CC[NH+](CC2)CCO)S)C=C(C1=O)OC

InChI

InChI=1S/C15H22N2O4S/c1-20-12-9-11(10-13(21-2)14(12)19)15(22)17-5-3-16(4-6-17)7-8-18/h9-10,18,22H,3-8H2,1-2H3/p+1